2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione

C12H20N2O2 — CID 23044137

IUPAC2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCN1C(=O)C2C(N(C)C1=O)C(C)(C)C2(C)C
InChIInChI=1S/C12H20N2O2/c1-11(2)7-8(12(11,3)4)13(5)10(16)14(6)9(7)15/h7-8H,1-6H3
InChIKeyJUIGPBHIRNPVIW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.56
Rot. Bonds

About 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione

2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione (PubChem CID 23044137) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione.

Molecular Properties

Compound Name2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
PubChem CID23044137
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCN1C(=O)C2C(N(C)C1=O)C(C)(C)C2(C)C
InChIInChI=1S/C12H20N2O2/c1-11(2)7-8(12(11,3)4)13(5)10(16)14(6)9(7)15/h7-8H,1-6H3
InChIKeyJUIGPBHIRNPVIW-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The IUPAC name of 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione (CID 23044137) is 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione.
What is the SMILES notation for 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The canonical SMILES for 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione is CN1C(=O)C2C(N(C)C1=O)C(C)(C)C2(C)C.
What is the InChIKey of 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The InChIKey is JUIGPBHIRNPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2)7-8(12(11,3)4)13(5)10(16)14(6)9(7)15/h7-8H,1-6H3.
What are the key properties of 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione is sourced from PubChem (CID 23044137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).